1-(4-hydroxy-6-methyl-pyrimidin-2-yl)-3-methyl-pyrazolin-5-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-(4-hydroxy-6-methyl-pyrimidin-2-yl)-3-methyl-pyrazolin-5-one
• 英文别名: 1-(4-hydroxy-6-methyl-2-pyrimidinyl)-3-methylpyrazolin-5-one；6-Methyl-2-(3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)pyrimidin-4(3h)-one；4-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1H-pyrimidin-6-one
• 化学式: C₉H₁₀N₄O₂
• 分子量: 206.204
• InChiKey: CHJMXPBIQYHLES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  74.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-hydroxy-6-methyl-pyrimidin-2-yl)-3-methyl-pyrazolin-5-one 以90%的产率得到
  参考文献：
  名称：

  CRISTEA, IOAN;FARCASAN, VALER, STUD. UNIV. BABES-BOLYAI. CHEM., 34,(1989) N, C. 60-63

  摘要：

  DOI：
• 作为产物：
  描述：

  甲基硫脲嘧啶 在 氢氧化钾 、 sodium hydroxide 、 一水合肼 作用下， 以 甲醇 为溶剂， 反应 6.67h， 生成 1-(4-hydroxy-6-methyl-pyrimidin-2-yl)-3-methyl-pyrazolin-5-one
  参考文献：
  名称：

  Synthesis of 2-(Pyrazol-1-yl)pyrimidine Derivatives by Cyclocondensation of Ethyl Acetoacetate (6-Methyl-4-oxo-3,4-dihydropyrimidin-2-yl)hydrazone with Aromatic Aldehydes

  摘要：

  2-(4-Arylidene-3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)-6-methylpyrimidin-4(3H)-ones were obtained by reaction of ethyl acetoacetate (6-methyl-4-oxo-3,4-dihydropyrimidin-2-yl)hydrazone with aromatic aldehydes. Successful cyclization occurs with aldehydes containing an auxochromic substituent in the para position.

  DOI：

  10.1023/b:rugc.0000030401.30369.4d

文献信息

• CRISTEA, IOAN, STUD. UNIV. BABES-BOLYAI. CHEM., 33,(1988) N, C. 61-64
  作者：CRISTEA, IOAN

  DOI：——

  日期：——
• MATSUURA, IKUTOSI;TOMIKASI, KUNIXIKO;MATSUBARA, SYUDZO;KAKIMOTO, MORIO
  作者：MATSUURA, IKUTOSI、TOMIKASI, KUNIXIKO、MATSUBARA, SYUDZO、KAKIMOTO, MORIO

  DOI：——

  日期：——
• US3865825A
  申请人：——

  公开号：US3865825A

  公开（公告）日：1975-02-11
• Synthesis of 2-(Pyrazol-1-yl)pyrimidine Derivatives by Cyclocondensation of Ethyl Acetoacetate (6-Methyl-4-oxo-3,4-dihydropyrimidin-2-yl)hydrazone with Aromatic Aldehydes
  作者：A. V. Erkin、V. I. Krutikov、M. A. Chubraev

  DOI：10.1023/b:rugc.0000030401.30369.4d

  日期：2004.3

  2-(4-Arylidene-3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)-6-methylpyrimidin-4(3H)-ones were obtained by reaction of ethyl acetoacetate (6-methyl-4-oxo-3,4-dihydropyrimidin-2-yl)hydrazone with aromatic aldehydes. Successful cyclization occurs with aldehydes containing an auxochromic substituent in the para position.
• CRISTEA, IOAN;FARCASAN, VALER, STUD. UNIV. BABES-BOLYAI. CHEM., 34,(1989) N, C. 60-63
  作者：CRISTEA, IOAN、FARCASAN, VALER

  DOI：——

  日期：——